(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol

C12H26O3Si — CID 134836233

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(14-6)11(13)10(2)15-16(7,8)12(3,4)5/h10-11,13H,1H2,2-8H3/t10-,11?/m0/s1
InChIKeyCPBDQEVPTJXUCB-VUWPPUDQSA-N
MW246.42 g/mol
LogP2.92
Rot. Bonds5

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol (PubChem CID 134836233) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol
PubChem CID134836233
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(14-6)11(13)10(2)15-16(7,8)12(3,4)5/h10-11,13H,1H2,2-8H3/t10-,11?/m0/s1
InChIKeyCPBDQEVPTJXUCB-VUWPPUDQSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
6-O-(tert-Butyldimethylsilyl)-D-glucal
CID 11021628
3-(Trimethylsilylmethyl)but-3-ene-1,2-diol
CID 12022124
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 53764004
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 11127690
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methanol
CID 11333702
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 44556792
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
CID 57379881
1,4-anhydro-5-O-[tert-butyl(dimethyl)silyl]-2-deoxy-1-(tributylstannyl)pent-1-enitol
CID 73077255
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
CID 101564702
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol
CID 134861359

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol (CID 134836233) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol is C=C(OC)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol?
The InChIKey is CPBDQEVPTJXUCB-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(14-6)11(13)10(2)15-16(7,8)12(3,4)5/h10-11,13H,1H2,2-8H3/t10-,11?/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol has a molecular weight of 246.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-1-en-3-ol is sourced from PubChem (CID 134836233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).